简介：Aseriesofaromaticimineswerereducedtocorrespondingaminesinexcellentyieldsby2-phenyl-N,N-dimethylbenzimidazoline(PDMBI)photochemicallyinthepresenceofmagnesiumperchloride(Mg(ClO4)2).AMg2+mediatedphotoinducedelectrontransfermechanismwasproposed.

简介：利用2种杂化的密度泛函DFT方法（BHLYP和B3LYP）,2种纯DFT方法（BLYP和BP86）,以DZP＋＋为基函数对Cl2O5/Cl2O5-的平衡构型进行了量子化学计算,研究了它们的几何构型、相对能量和振动频率,并对Cl2O5/Cl2O5-体系的电子亲和势进行了理论预测.

简介：Anovelflower-likehydratedmagnesiumcarbonatehydroxide,Mg_5(CO_3)_4(OH)_2·4H_2O,withmicro-structurecomposedofindividualthinnano-sheetswassynthesizedusingafacilesolutionroutewithouttheuseoftemplateororganicsurfactant.Reactiontimehasanimportanteffectonthefinalmorphologyoftheproduct.Themicro-structureandmorphologyofMg_5(CO_3)_4(OH)_2·4H_2OwerecharacterizedbymeansofX-raydiffractometry(XRD),field-emissionscanningelectronmicroscopy(FE-SEM).Brunauer-Emmett-Teller(BET)surfaceareasofthesampleswerealsomeasured.Theprobableformationmechanismofflower-likemicro-structurewasdiscussed.ItwasfoundthatMg_5(CO_3)_4(OH)_2·4H_2Owithflower-likemicro-structurewasanovelandefficientcatalystforthesynthesisofdiphenylcarbonate(DPC)bytransesterificationofdimethylcarbonate(DMC)withphenol.

简介：利用直接法合成未见文献报道的K8[ZnMg（H2O）W11O39]·15H2O，通过ICP，IR和XRD等方法对其结构进行表征，结果表明所合成的配合物具有Keggin结构．采用化学热扩渗法对合成配合物进行稀土扩渗实验，经XPS测试表明，有微量的钆渗进配合物的体相，并与组成元素存在键合作用，导电性测试结果表明，扩渗后试样的导电率提高10^5倍，是一种优良的固体电解质，有望成为具有实用价值的功能材料．

简介：采用密度泛函方法对11顶点巢式碳硼烷C2B9H112-异构体进行了几何结构优化,分析了稳定性、电荷分布及分子轨道.结果表明,9个异构体都有对应的稳定构型,保持了巢式骨架结构.C取代开口五元环上B的异构体更稳定,且随取代数目增加和C原子间距增加而增加,C—C键和C—B键作用增强.C取代内层B使异构体稳定性降低,C—C键和C—B键长随之增长.负电荷主要集中在C原子上,开口五元环上的C原子上负电荷要比内层C原子更多,成为亲核取代反应中心.异构体分子前线轨道具有和η5-C5H5-相似的π键性质,ΔELUMO-HOMO反映的化学稳定性与结构能量稳定性趋势一致.

简介：利用水热技术合成了一个以Keggin型多金属氧酸盐和柔性有机配体为建筑块的三维超分子化合物[H2bbi]3[α-PMo12O40]2（1）（bbi=1,4-双-（咪唑-1-基）丁烷）,用X-射线单晶衍射、元素分析、红外光谱和X-射线粉末衍射对晶体结构进行了表征.X-射线单晶衍射显示,该晶体属于三斜晶系,P-1空间群,a=1.18360（9）nm,b=1.20932（10）nm,c=1.77728（15）nm,α=74.0890（10）°,β=70.9490（10）°,γ=71.8160（10）°,V=2.2421（3）nm3,Z=2,Dc=3.109g/cm3,F（000）=2300,μ=3.39mm-1,S=1.047,R1=0.0350,wR2=0.0776[I〉2σ（I）].

简介：利用水热合成方法合成了1个新的Keggin基质的超分子化合物（H2bimb）2（SiW12O40）,并通过元素分析、红外光谱、热重分析和X射线单晶衍射方法确定了该化合物的晶体结构.结构分析表明该化合物属于三斜晶系,P-1空间群,晶胞参数a=1.1226（5）nm,b=1.5635（5）nm,c=1.8927（5）nm,α=90.957（5）°,β=93.269（5）°,γ=104.534（5）°,V=3.209（2）nm3,Z=2,R1=0.0679,ωR2=0.1712.

简介：首先研究制备了Fe3O4和SO4^2ˉ-TiO2固体酸催化剂，在此基础上采用共沉淀和浸渍的方法制备了磁性和超细SO4^2ˉ-TiO2-Fe3O4固体酸催化剂。利用XRD，TEM和FT—IR等分析测试手段对催化剂的结构和性能进行了表征。测定结果证实该催化剂具有较小的粒度，较高的磁性表现。在乙酸丁酯合成反应中SO4^2ˉ-TiO2-Fe3O4展示了很高的催化活性（酯化率可达82．7％），而且利用Fe3O4的磁性可对催化剂进行分离和回收．

简介：含有ONO给体原子的N-邻甲氧基苯甲酰基水杨酰肼配体与[VO(acac)2]在乙醇中反应得到钒(V)酰配合物VO[(C15H12N2O4)(OC2H5)].标题化合物晶体属三斜晶系,空间群Pī,晶胞参数:a＝0.89411(5)nm,b＝1.0063(2)nm,c＝1.0392(2)nm,α＝110.171(7)°,β＝95.219(3)°,γ＝93.822(2)°;V＝0.8692(2)nm3,Z＝2,R1＝0.0513,wR＝0.1532.研究结果表明:钒原子具有扭曲的四方锥配位构型,钒酰氧原子处在锥顶位置,配体的3个给体原子与溶剂分子形成锥底平面.

简介：Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.

简介：在他们的photocatalytic/photoelectro-catalytic表演之上的TiO2nanotube数组(TNA)的结构的参数的效果被把词法特征和物理化学的性质与不同试管长度从三种电解质准备了作比较学习。结果证明与试管长度的增长转移红的TNA和短TNA的紫外力的吸收边拥有更高的bandgap精力。TNA的电气化学的窗户的变化趋势是DMSO(5.5V)>市民(3.2V)>HF(1.8V)。长TNA拥有更高的photocatalytic(PC)反应建议表面粗糙因素是PC效率的主要决定因素，尽管，为长TNA有明显的再结合效果。从一样的电解质为TNA由在试管长度和photoelectrocatalytic(PEC)效率之间的积极关联证实了，试管长度的改进能导致更好的PEC反应，但是当试管长度在某个价值上时，PEC降级率不再增加，但是减少。有从市民和DMSO电解质准备的大表面粗糙因素的长TNA与从HF电解质准备的短TNA相比展出比较或平的更低的PEC性能，显示TNA的PEC表演被费用分离和光电子转移性质而非表面粗糙系数和试管长度统治。

简介：由包含微生物引起的整个房间的催化剂的RhodococcuserythropolisAJ270，nitrilehydratase和amidase催化，在10点

简介：Thecrystalstructureof[Ni（TAAB）（py）2]（BF4）2,whereTAABisthetetradentatemacrocyclicligandtetrabenzo[b,f,j,n][1,5,9,13]tetraazacyclohexadecine,hasbeendeterminedfromX-raydiffractionanalysis.Thecrys.taibeiongstomonoclinic,spacegroupP21/nwithcellparameters

简介：Anewcytotoxicpyrrolidinoindolinediketopiperazinedimer,cristatuminE(1),wasisolatedfromthefermentationbrothofthealgalfungusEurotiumherbariorumHT-2associatedwiththemarinealgae,Enteromorphaprolifera.ThestructurewasdeterminedbyspectroscopicanalysesandMarfey’saminoacidanalysis.CristatuminE(1)showedcytotoxicityagainstK562tumorcelllineandantibacterialactivityagainstEnterobacteraerogenesandEscherichiacoliwithIC50andMICvaluesof8.3,44.0and44.0mmol/L,respectively.

简介：Underdifferentreactionconditions,theexpectedandunexpectedreactionproducts(ofwhichX-raycrystallographicstructurewaspresented)ofetherificationof2-per(poly)fluoroethyl4-substitutedphenolwithβ-haloethanolcanbeobtainedrespectively.

简介：

简介：Inthiswork,viaafacilesolvothermalroute,wesynthesizedananodematerialforlithiumionbatteries(LIBs)—SnS_2nanoparticle/graphene(SnS_2NP/GNs)nanocomposite.ThenanocompositeconsistsofSnS_2nanoparticleswithanaveragediameterof4nmandgraphenenanosheetswithoutrestacking.TheSnS_2nanoparticlesarefirmlyanchoredonthegraphenenanosheets.AsananodematerialforLIBs,thenanocompositeexhibitsgoodListorageperformanceespeciallyhighrateperformance.Atthehighcurrentrateof5,10,and20A/g,thenanocompositedeliveredhighcapacitiesof525,443,and378mAh/g,respectively.ThegoodconductivityofthegraphenenanosheetsandthesmallparticlesizeofSnS_2contributetotheelectrochemicalperformanceofSnS_2NP/GNs.

简介：4,4-Dialkyl-2-oxazolin-5-onesarepreparedbyonestepreactionof2-oxazolin-5-onewiththemagnesiummethylcarbonate(MMC)andalkyIhalides.Itisanovelandconvenientmethodforsynthesisofα,Υ-disubstitutcdα-aminoacidbyhydrolysisof4,4-dialkyl-2-oxazolin-5-ones.

简介：NewrareearthvanadatesYSrQ-xCaxV3O9-y（x=0.0,0.67,1.0,1.33and2.0）havebeensynthesizedbyanewsimplemethod.X-raypowderdiffractionresultsshowthattheyaremono-phase.Theybelongtoorthorhombicstructureandtheirlatticeconstantsarecalculated.TheresultsofweightgainsinTGcurvesshowthatthelowervalentvanadiumisoxidizedtohighervalentstateathighertemperature.Theoxygencontentsofnewcompoundsarecalculatedfromtheweightgains.BothV3+andV4+coexistinYSr2-xCaxV3O9-y.Thesecompoundsexhibitlowelectricresistivityatroomtemperature.

简介：新精力充沛的材料，4,5-diacetoxyl-2-(dinitromethylene)-imidazolidine(DADNI)，被4,5-dihydroxyl-2-(dinitromethylene)的反应综合-imidazolidine(DDNI)和醋性的酐，并且由单个水晶X光检查衍射描绘了。为DADNI的水晶数据是单斜晶的，空间组C2/c，a=15.9167(3)?，b=8.6816(4)?，c=8.5209(3)?，=103.294(9)獩潩?硯杹湥戭浯?潣扭獵楴湯挠污牯浩瑥牥愠?啣????7敢?敤楬敶敲?景吗？